Compound Identification
SMILES
C\C=C(/C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@@H]2[C@]11CO[C@H](O)[C@H]1[C@@](C)([C@@H]3O)[C@]12O[C@@]1(C)[C@H]1C[C@@H]2O[C@@H]2OC=C[C@]12O
InChIKey
InChIKey=DTVGLMFEPSBEIA-GSWRAVRCSA-N
Formula
C32H42O12
Mass
618.676
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Limonoids
Alternative Parents
Furopyrans Fatty acid esters Oxepanes Dicarboxylic acids and derivatives Oxanes Pyrans Tertiary alcohols Furans Tetrahydrofurans Enoate esters Dihydrofurans Hemiacetals Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Acetals Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Furopyran - Fatty acid ester - Oxepane - Dicarboxylic acid or derivatives - Oxane - Pyran - Fatty acyl - Tetrahydrofuran - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Oxirane - Organoheterocyclic compound - Acetal - Dialkyl ether - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.
External Descriptors
CHEBI:38520 : azadirachtin